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Chemical ID: 7084060
Chemical ID:
7084060
Name [?]:
4-(4-methoxyphenyl)imino-5-[(5-phenyl-2-furyl)methylene]thiazolidin-2-one
SMILES [?]:
COc1ccc(cc1)N=C2C(=Cc3ccc(o3)c4ccccc4)SC(=O)N2
InChi [?]:
InChI=1/C21H16N2O3S/c1-25-16-9-7-15(8-10-16)22-20-19(27-21(24)23-20)13-17-11-12-18(26-17)14-5-3-2-4-6-14/h2-13H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,5,7,4,8,14,15,12,18,6,3,13,16,11,10,25,9,27,26,2,17,24/E:(3,4)(5,6)(7,8)(9,10)/rA:27nCOCCCCCCNCCCCCCCOCCCCCCSCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;w11;s12;d13;s14;d15;s13s16;s16;s18;d19;s20;d21;d18s22;s11;s24;d25;s10s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H16N2O3S |
All Atoms: | 43 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.38531 |
Area: | 546.622 |
Solvation: | -4.28023 |
Coulombic: | -42.8715 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 376.429 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.66 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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